Geometry & MOs

Info

ID:	322121
PubChem CID:	126668745
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	357.189986
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	3.27
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[[amino(carboxy)methylidene]amino]-4-oxo-3-(3,3,6-trimethylheptanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)NC

DOS

IR

Vibrations